![[(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate structure](/static/products/871/871921-31-2.png)
[(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate
TL;DR: [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate (CAS 871921-31-2) is a chemical compound with molecular formula C18H22N4O6 and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate
Also Known As: [(1-cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate|[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate|EN300-26687650
| Molecular Formula | C18H22N4O6 |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 1.76248 |
| Topological Polar Surface Area | 143.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 390.15393 |
| Heavy Atoms | 28 |
| Complexity | 782.77075 |
Chemical Identifiers
| CAS Number | 871921-31-2 |
|---|---|
| SMILES | COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2(CCCC2)C#N |
Product Overview
[(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate (CAS 871921-31-2), with molecular formula C18H22N4O6 and molecular weight 390.15 g/mol. IUPAC: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate.
Chemical Property Profile of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate
Property Insights of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate
The XLogP value of 1.76248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate. The TPSA of 143.59 Ų indicates high polarity, suggesting [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate?
The CAS number of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate is 871921-31-2.
What is the molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate?
The molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate is C18H22N4O6.
What is the molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate?
The molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate is 390.15 g/mol.
Where can I buy [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate?
You can request a quote for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.